SCHEMBL8344869

SCHEMBL8344869

CCOC(=O)CN(C(=O)OC(C)(C)C)c1ccc(Cn2cccc(-c3ccc(C)cc3)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
ITGB1 P05556 7/20 0.39
ITGA4 P13612 7/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14096923 0.90 FNTA (0.42) MAPTITGB1ITGA4POLBLMNA
SCHEMBL8345236 0.78 ITGB1 (0.42) ITGB1ITGA4KDM4EALDH1A1
SCHEMBL8345872 0.76 ITGB1 (0.54) MAPTTP53ITGB1ITGA4LMNA
SCHEMBL8345876 0.75 RAB9A (0.43) MAPTITGB1ITGA4POLBLMNA
SCHEMBL25213314 0.72 CYP3A4 (0.43) MAPTALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL5069303 0.71 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5068327 0.71 ITGB1 (0.69) MAPTITGB1ITGA4KDM4EMEN1
SCHEMBL2928884 0.70 SMN1; SMN2 (0.43) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL4623433 0.69 F2 (0.41) SMN1; SMN2
SCHEMBL27451463 0.68 MLYCD (0.44) KDM4EALDH1A1RAB9AGLAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 WO disclosed